{"id":"https://openalex.org/W4410022944","doi":"https://doi.org/10.1088/2632-2153/add3bb","title":"LLM4Mat-bench: benchmarking large language models for materials property prediction","display_name":"LLM4Mat-bench: benchmarking large language models for materials property prediction","publication_year":2025,"publication_date":"2025-05-02","ids":{"openalex":"https://openalex.org/W4410022944","doi":"https://doi.org/10.1088/2632-2153/add3bb"},"language":"en","primary_location":{"id":"doi:10.1088/2632-2153/add3bb","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/add3bb","pdf_url":null,"source":{"id":"https://openalex.org/S4210200687","display_name":"Machine Learning Science and Technology","issn_l":"2632-2153","issn":["2632-2153"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Machine Learning: Science and Technology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1088/2632-2153/add3bb","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5024826347","display_name":"Andre Niyongabo Rubungo","orcid":"https://orcid.org/0000-0003-3608-2039"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Andre Niyongabo Rubungo","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0003-3608-2039","affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055766485","display_name":"Kangming Li","orcid":"https://orcid.org/0000-0003-4471-8527"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kangming Li","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0003-4471-8527","affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073635313","display_name":"Jason Hattrick\u2010Simpers","orcid":"https://orcid.org/0000-0003-2937-3188"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jason Hattrick-Simpers","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0003-2937-3188","affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5063448291","display_name":"Adji Bousso Dieng","orcid":"https://orcid.org/0000-0001-5687-3554"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Adji Bousso Dieng","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0001-5687-3554","affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5024826347"],"corresponding_institution_ids":[],"apc_list":{"value":1600,"currency":"GBP","value_usd":1962},"apc_paid":{"value":1600,"currency":"GBP","value_usd":1962},"fwci":4.8235,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.95646743,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"6","issue":"2","first_page":"020501","last_page":"020501"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9787999987602234,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9787999987602234,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11159","display_name":"Manufacturing Process and Optimization","score":0.9190999865531921,"subfield":{"id":"https://openalex.org/subfields/2209","display_name":"Industrial and Manufacturing Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/benchmarking","display_name":"Benchmarking","score":0.7655985355377197},{"id":"https://openalex.org/keywords/property","display_name":"Property (philosophy)","score":0.6469458937644958},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.47690606117248535},{"id":"https://openalex.org/keywords/natural-language-processing","display_name":"Natural language processing","score":0.3521852493286133},{"id":"https://openalex.org/keywords/business","display_name":"Business","score":0.10226291418075562},{"id":"https://openalex.org/keywords/philosophy","display_name":"Philosophy","score":0.049239277839660645}],"concepts":[{"id":"https://openalex.org/C86251818","wikidata":"https://www.wikidata.org/wiki/Q816754","display_name":"Benchmarking","level":2,"score":0.7655985355377197},{"id":"https://openalex.org/C189950617","wikidata":"https://www.wikidata.org/wiki/Q937228","display_name":"Property (philosophy)","level":2,"score":0.6469458937644958},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.47690606117248535},{"id":"https://openalex.org/C204321447","wikidata":"https://www.wikidata.org/wiki/Q30642","display_name":"Natural language processing","level":1,"score":0.3521852493286133},{"id":"https://openalex.org/C144133560","wikidata":"https://www.wikidata.org/wiki/Q4830453","display_name":"Business","level":0,"score":0.10226291418075562},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.049239277839660645},{"id":"https://openalex.org/C162853370","wikidata":"https://www.wikidata.org/wiki/Q39809","display_name":"Marketing","level":1,"score":0.0},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1088/2632-2153/add3bb","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/add3bb","pdf_url":null,"source":{"id":"https://openalex.org/S4210200687","display_name":"Machine Learning Science and Technology","issn_l":"2632-2153","issn":["2632-2153"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Machine Learning: Science and Technology","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:23bc7cb61fbe4c0490152242dd1f6bca","is_oa":true,"landing_page_url":"https://doaj.org/article/23bc7cb61fbe4c0490152242dd1f6bca","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Machine Learning: Science and Technology, Vol 6, Iss 2, p 020501 (2025)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1088/2632-2153/add3bb","is_oa":true,"landing_page_url":"https://doi.org/10.1088/2632-2153/add3bb","pdf_url":null,"source":{"id":"https://openalex.org/S4210200687","display_name":"Machine Learning Science and Technology","issn_l":"2632-2153","issn":["2632-2153"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Machine Learning: Science and Technology","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G5565249710","display_name":null,"funder_award_id":"#2118201","funder_id":"https://openalex.org/F4320337377","funder_display_name":"Office of Advanced Cyberinfrastructure"}],"funders":[{"id":"https://openalex.org/F4320337377","display_name":"Office of Advanced Cyberinfrastructure","ror":"https://ror.org/04nh1dc89"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":44,"referenced_works":["https://openalex.org/W1992985800","https://openalex.org/W2070942956","https://openalex.org/W2100716186","https://openalex.org/W2278970271","https://openalex.org/W2586209903","https://openalex.org/W2733963201","https://openalex.org/W2766856748","https://openalex.org/W2795510410","https://openalex.org/W2963341956","https://openalex.org/W2963587345","https://openalex.org/W3023937119","https://openalex.org/W3143460494","https://openalex.org/W3202900079","https://openalex.org/W3212512279","https://openalex.org/W4248414713","https://openalex.org/W4280570022","https://openalex.org/W4327564965","https://openalex.org/W4365509359","https://openalex.org/W4385484300","https://openalex.org/W4388945356","https://openalex.org/W4389132751","https://openalex.org/W4393038846","https://openalex.org/W4393212539","https://openalex.org/W4396706898","https://openalex.org/W4400074175","https://openalex.org/W4405114187","https://openalex.org/W4406284830","https://openalex.org/W6769627184","https://openalex.org/W6810047384","https://openalex.org/W6839378501","https://openalex.org/W6853104154","https://openalex.org/W6853107892","https://openalex.org/W6854274159","https://openalex.org/W6854866820","https://openalex.org/W6855991174","https://openalex.org/W6856498177","https://openalex.org/W6857430821","https://openalex.org/W6858023062","https://openalex.org/W6860715045","https://openalex.org/W6861374585","https://openalex.org/W6862183416","https://openalex.org/W6862264409","https://openalex.org/W6862397664","https://openalex.org/W6870737912"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W4238897586","https://openalex.org/W435179959","https://openalex.org/W2619091065","https://openalex.org/W2059640416","https://openalex.org/W1490753184","https://openalex.org/W2284465472","https://openalex.org/W2291782699"],"abstract_inverted_index":{"Abstract":[0],"Large":[1],"language":[2],"models":[3,104,149],"(LLMs)":[4],"are":[5],"increasingly":[6],"being":[7],"used":[8],"in":[9,45,59,93,140,154],"materials":[10,25,66,141,155],"science.":[11],"However,":[12],"little":[13],"attention":[14],"has":[15],"been":[16],"given":[17],"to":[18,37,102,118],"benchmarking":[19],"and":[20,69,81,90,110,112,115,130,143,150,162],"standardized":[21],"evaluation":[22],"for":[23,39,95,146],"LLM-based":[24],"property":[26,121,156],"prediction,":[27],"which":[28],"hinders":[29],"progress.":[30],"We":[31,99],"present":[32],"LLM4Mat-Bench,":[33],"the":[34,41,47,120,135,144],"largest":[35],"benchmark":[36],"date":[38],"evaluating":[40],"performance":[42],"of":[43,49,124,137],"LLMs":[44,139,153],"predicting":[46],"properties":[48],"crystalline":[50],"materials.":[51],"LLM4Mat-Bench":[52,73,101],"contains":[53],"about":[54],"1.9":[55],"M":[56],"crystal":[57,78,82],"structures":[58],"total,":[60],"collected":[61],"from":[62],"10":[63],"publicly":[64],"available":[65],"data":[67],"sources,":[68],"45":[70],"distinct":[71],"properties.":[72],"features":[74],"different":[75,106],"input":[76],"modalities:":[77],"composition,":[79],"CIF,":[80],"text":[83],"description,":[84],"with":[85,105],"4.7":[86],"M,":[87,89],"615.5":[88],"3.1B":[91],"tokens":[92],"total":[94],"each":[96],"modality,":[97],"respectively.":[98],"use":[100],"fine-tune":[103],"sizes,":[107],"including":[108,127],"LLM-Prop":[109],"MatBERT,":[111],"provide":[113],"zero-shot":[114],"few-shot":[116],"prompts":[117],"evaluate":[119],"prediction":[122,157],"capabilities":[123],"LLM-chat-like":[125],"models,":[126],"Llama,":[128],"Gemma,":[129],"Mistral.":[131],"The":[132,160],"results":[133],"highlight":[134],"challenges":[136],"general-purpose":[138],"science":[142],"need":[145],"task-specific":[147,151],"predictive":[148],"instruction-tuned":[152],"7":[158,159],"Benchmark":[161],"code":[163],"can":[164],"be":[165],"found":[166],"at:":[167],"https://github.com/vertaix/LLM4Mat-Bench":[168],".":[169,170]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":7}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2025-10-10T00:00:00"}